==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 21-MAY-04 1TD4 . COMPND 2 MOLECULE: HEAD DECORATION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE P21; . AUTHOR C.CHANG,P.FORRER,D.OTT,A.WLODAWER,A.PLUECKTHUN . 102 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5787.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 56 54.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 19.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 5 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 12 A V 0 0 195 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 21.7 14.3 19.7 -11.7 2 13 A R - 0 0 164 1,-0.1 100,-0.1 70,-0.0 74,-0.1 -0.540 360.0-167.7 -71.5 132.2 13.2 16.2 -12.6 3 14 A I + 0 0 57 -2,-0.2 70,-3.1 69,-0.1 2,-0.3 0.735 63.4 63.0 -97.6 -26.7 10.6 14.9 -10.2 4 15 A F B -A 72 0A 72 68,-0.3 68,-0.3 1,-0.1 3,-0.1 -0.784 47.3-174.5-105.9 148.3 10.5 11.2 -11.1 5 16 A A S S+ 0 0 26 66,-2.1 2,-0.3 -2,-0.3 67,-0.2 -0.040 74.4 33.7-123.0 24.9 13.2 8.6 -10.9 6 17 A G S S- 0 0 28 65,-0.6 65,-0.3 2,-0.1 -1,-0.1 -0.950 74.1-119.9-173.3 161.1 11.3 5.7 -12.6 7 18 A N + 0 0 160 -2,-0.3 3,-0.1 63,-0.1 -1,-0.0 0.410 66.2 120.2 -93.2 -4.2 8.7 5.1 -15.3 8 19 A D S S- 0 0 55 1,-0.1 63,-0.5 2,-0.0 -2,-0.1 -0.360 79.2 -89.6 -64.8 138.5 5.9 3.4 -13.3 9 20 A P - 0 0 83 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.211 31.8-141.6 -54.1 136.2 2.7 5.4 -13.6 10 21 A A - 0 0 33 -3,-0.1 60,-0.2 60,-0.1 2,-0.2 -0.818 24.7-168.9-101.6 92.2 2.3 8.0 -11.0 11 22 A H - 0 0 104 -2,-0.9 57,-2.8 56,-0.0 58,-1.3 -0.544 7.3-143.0 -81.3 151.1 -1.4 7.9 -10.1 12 23 A T E -C 67 0B 76 55,-0.3 2,-0.3 56,-0.2 55,-0.2 -0.705 15.4-175.9-112.2 162.6 -3.1 10.6 -8.0 13 24 A A E -C 66 0B 22 53,-2.5 53,-2.8 -2,-0.2 2,-0.3 -0.944 19.9-126.9-146.1 161.9 -5.9 10.4 -5.4 14 25 A T E +C 65 0B 105 -2,-0.3 2,-0.3 51,-0.2 51,-0.2 -0.847 30.8 167.9-115.0 158.6 -7.9 12.8 -3.3 15 26 A G E -C 64 0B 18 49,-1.9 49,-2.5 -2,-0.3 2,-0.4 -0.963 42.5 -80.9-158.7 165.1 -8.3 12.7 0.5 16 27 A S E -C 63 0B 64 -2,-0.3 22,-2.8 47,-0.2 2,-0.4 -0.641 48.6-138.2 -78.7 131.5 -9.5 14.7 3.4 17 28 A S B +d 38 0B 7 45,-2.9 22,-0.2 -2,-0.4 20,-0.1 -0.780 29.5 177.5 -99.4 134.5 -6.9 17.3 4.6 18 29 A G + 0 0 27 20,-3.2 2,-0.4 -2,-0.4 21,-0.2 0.172 47.5 122.9-106.9 13.2 -5.9 18.1 8.1 19 30 A I + 0 0 13 19,-0.5 42,-0.1 42,-0.2 39,-0.1 -0.637 34.4 178.6 -80.4 128.0 -3.2 20.6 7.0 20 31 A S + 0 0 103 -2,-0.4 -1,-0.1 2,-0.1 19,-0.0 0.198 58.4 50.6-119.5 16.1 -3.8 24.1 8.4 21 32 A S S S- 0 0 64 0, 0.0 38,-0.3 0, 0.0 36,-0.1 -0.958 99.6 -70.5-144.0 160.3 -0.8 26.0 7.0 22 33 A P - 0 0 96 0, 0.0 36,-0.2 0, 0.0 -2,-0.1 -0.210 52.4-178.1 -54.1 136.9 0.8 26.6 3.6 23 34 A T B -H 57 0C 11 34,-2.3 34,-2.3 -4,-0.1 36,-0.1 -0.997 20.0-125.9-142.0 129.5 2.5 23.4 2.4 24 35 A P > - 0 0 66 0, 0.0 3,-0.8 0, 0.0 29,-0.1 -0.316 33.0 -91.6 -81.2 161.4 4.5 23.0 -0.8 25 36 A A T 3 S+ 0 0 28 1,-0.2 29,-0.2 29,-0.1 53,-0.1 -0.266 108.3 39.1 -58.2 157.9 4.0 20.4 -3.5 26 37 A L T 3 S+ 0 0 17 27,-3.0 52,-2.7 1,-0.3 -1,-0.2 0.709 79.5 143.8 68.2 24.7 6.0 17.1 -3.2 27 38 A T < - 0 0 6 -3,-0.8 26,-2.8 50,-0.2 -1,-0.3 -0.807 52.9-120.8 -85.1 126.0 5.6 17.0 0.6 28 39 A P E -E 52 0B 0 0, 0.0 13,-2.6 0, 0.0 2,-0.3 -0.417 30.8-151.3 -66.9 143.1 5.1 13.5 2.0 29 40 A L E -EF 51 40B 0 22,-2.6 21,-2.0 11,-0.3 22,-1.1 -0.836 14.3-173.7-116.2 151.2 1.8 13.0 3.9 30 41 A M E - F 0 39B 32 9,-2.7 9,-2.9 -2,-0.3 2,-0.3 -0.872 32.2 -98.7-133.2 166.3 0.8 10.7 6.8 31 42 A L E - F 0 38B 85 17,-0.5 2,-0.7 -2,-0.3 7,-0.2 -0.699 22.6-139.2 -86.7 142.5 -2.5 9.9 8.5 32 43 A D >> - 0 0 65 5,-2.8 4,-3.0 -2,-0.3 3,-0.9 -0.897 14.4-155.4 -91.2 113.0 -3.4 11.7 11.7 33 44 A E T 34 S+ 0 0 177 -2,-0.7 -1,-0.1 1,-0.2 -2,-0.0 0.852 86.7 59.3 -67.8 -31.4 -5.1 8.8 13.7 34 45 A A T 34 S+ 0 0 93 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.804 125.8 15.6 -60.7 -33.9 -7.2 11.1 16.0 35 46 A T T <4 S- 0 0 78 -3,-0.9 -2,-0.2 2,-0.2 -1,-0.2 0.629 92.7-127.5-118.4 -22.9 -9.0 12.7 13.0 36 47 A G < + 0 0 49 -4,-3.0 -20,-0.2 1,-0.3 -3,-0.2 0.488 66.4 131.2 83.9 1.2 -8.3 10.3 10.1 37 48 A K - 0 0 88 -5,-0.4 -5,-2.8 -20,-0.1 2,-0.4 -0.413 63.3-104.4 -88.3 162.2 -7.2 13.3 8.0 38 49 A L E +dF 17 31B 7 -22,-2.8 -20,-3.2 -7,-0.2 -19,-0.5 -0.741 46.0 164.9 -86.5 131.8 -4.0 13.6 6.0 39 50 A V E - F 0 30B 22 -9,-2.9 -9,-2.7 -2,-0.4 2,-0.2 -0.780 46.8 -63.4-133.6 177.7 -1.2 15.8 7.4 40 51 A V E - F 0 29B 55 -2,-0.2 -11,-0.3 -11,-0.2 2,-0.2 -0.457 57.2-109.7 -64.9 133.3 2.5 16.3 6.8 41 52 A W - 0 0 0 -13,-2.6 -1,-0.1 -2,-0.2 8,-0.1 -0.470 25.3-154.2 -59.2 127.7 4.6 13.2 7.4 42 53 A D - 0 0 74 -2,-0.2 -1,-0.1 38,-0.1 -2,-0.1 0.461 29.6-120.8 -90.8 -2.4 6.6 13.9 10.6 43 54 A G S S+ 0 0 5 2,-0.2 41,-0.4 40,-0.1 44,-0.1 0.444 78.3 119.9 81.6 0.5 9.5 11.6 9.8 44 55 A Q S S+ 0 0 121 1,-0.2 2,-0.4 39,-0.1 -1,-0.0 0.834 72.5 28.8 -75.5 -28.9 8.9 9.5 13.0 45 56 A K S > S- 0 0 134 42,-0.1 3,-1.3 46,-0.1 4,-0.2 -0.992 74.1-124.1-136.1 132.4 8.2 6.1 11.3 46 57 A A T 3 S+ 0 0 43 -2,-0.4 45,-0.3 1,-0.2 46,-0.1 -0.411 98.7 24.8 -59.5 145.5 9.2 4.4 8.2 47 58 A G T 3 S+ 0 0 33 43,-1.3 -1,-0.2 40,-0.4 44,-0.1 0.375 93.2 99.2 84.1 -7.1 6.2 3.3 6.1 48 59 A S < + 0 0 30 -3,-1.3 2,-0.8 -18,-0.1 -17,-0.5 0.496 52.8 97.3 -95.4 -2.5 3.8 5.9 7.6 49 60 A A + 0 0 0 42,-2.1 -19,-0.3 -4,-0.2 46,-0.2 -0.790 47.9 172.9 -83.0 114.6 4.1 8.3 4.6 50 61 A V + 0 0 52 -21,-2.0 2,-0.3 -2,-0.8 -20,-0.2 0.416 55.9 7.2-104.5 -2.4 1.0 7.3 2.5 51 62 A G E -E 29 0B 0 -22,-1.1 -22,-2.6 44,-0.1 2,-0.4 -0.984 59.0-126.7-167.2 165.7 1.1 10.0 -0.2 52 63 A I E -EG 28 67B 0 15,-1.3 15,-2.8 -2,-0.3 17,-0.1 -0.987 38.8-113.3-127.4 121.7 3.0 12.8 -1.7 53 64 A L E - G 0 66B 0 -26,-2.8 -27,-3.0 -2,-0.4 13,-0.3 -0.313 26.6-170.4 -57.6 132.5 1.2 16.2 -2.1 54 65 A V S S+ 0 0 30 11,-2.4 12,-0.2 -29,-0.2 -1,-0.1 0.860 70.8 37.7 -90.3 -45.7 0.6 17.1 -5.8 55 66 A L S S- 0 0 98 10,-0.8 10,-0.2 -30,-0.1 -1,-0.2 -0.883 91.5-107.0-111.2 140.9 -0.7 20.7 -5.5 56 67 A P - 0 0 81 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.373 36.0-141.5 -59.7 144.4 0.6 23.3 -2.9 57 68 A L B -H 23 0C 9 -34,-2.3 -34,-2.3 -36,-0.1 -37,-0.0 -0.834 16.7-158.0-106.8 154.0 -1.9 23.9 -0.1 58 69 A E - 0 0 128 -2,-0.3 -1,-0.1 -36,-0.2 -38,-0.0 0.529 52.3-108.1 -95.5 -17.3 -2.6 27.3 1.5 59 70 A G S S+ 0 0 14 -38,-0.3 -2,-0.0 -36,-0.1 0, 0.0 0.464 101.9 87.4 103.3 0.6 -3.9 25.6 4.6 60 71 A T + 0 0 124 -39,-0.0 2,-0.1 0, 0.0 -40,-0.1 0.534 60.1 112.8-103.5 -8.5 -7.7 26.3 4.2 61 72 A E - 0 0 55 1,-0.1 -42,-0.2 -42,-0.1 3,-0.1 -0.386 50.6-160.7 -74.9 139.1 -8.6 23.3 2.0 62 73 A T S S+ 0 0 123 -2,-0.1 -45,-2.9 -46,-0.1 2,-0.3 0.733 82.9 36.9 -85.4 -21.9 -10.8 20.5 3.2 63 74 A A E -C 16 0B 55 -47,-0.3 2,-0.3 -45,-0.0 -47,-0.2 -0.917 67.2-168.9-127.1 157.1 -9.5 18.1 0.5 64 75 A L E -C 15 0B 5 -49,-2.5 -49,-1.9 -2,-0.3 2,-0.4 -0.906 19.6-126.1-135.6 168.3 -6.1 17.6 -1.1 65 76 A T E +C 14 0B 37 -2,-0.3 -11,-2.4 -51,-0.2 -10,-0.8 -0.958 32.8 174.9-114.6 132.2 -4.6 15.8 -4.1 66 77 A Y E -CG 13 53B 46 -53,-2.8 -53,-2.5 -2,-0.4 2,-0.4 -0.950 35.5-108.0-135.2 154.0 -1.8 13.3 -3.6 67 78 A Y E -CG 12 52B 39 -15,-2.8 -15,-1.3 -2,-0.3 -55,-0.3 -0.717 26.7-178.3 -73.3 133.1 0.3 10.8 -5.5 68 79 A K + 0 0 111 -57,-2.8 28,-0.6 -2,-0.4 2,-0.3 0.344 67.8 21.2-112.3 -3.7 -0.6 7.3 -4.6 69 80 A S E S+ b 0 96A 12 -58,-1.3 28,-0.3 -17,-0.1 2,-0.1 -0.960 76.5 80.3-152.7 172.7 1.9 5.6 -6.9 70 81 A G E - b 0 97A 0 26,-1.1 28,-1.7 -2,-0.3 2,-0.5 -0.390 66.5 -87.1 117.1 168.5 5.1 6.3 -8.8 71 82 A T E - b 0 98A 20 -63,-0.5 -66,-2.1 -65,-0.3 -65,-0.6 -0.982 46.3-161.2-116.6 112.8 8.9 6.4 -8.3 72 83 A F E -Ab 4 99A 0 26,-2.7 28,-2.4 -2,-0.5 2,-0.5 -0.621 24.5-108.0 -98.9 153.9 10.1 9.9 -7.2 73 84 A A E >> - b 0 100A 0 -70,-3.1 3,-1.7 -2,-0.2 4,-0.8 -0.713 27.8-138.5 -76.6 125.6 13.5 11.6 -7.3 74 85 A T G >4 S+ 0 0 23 26,-2.2 3,-1.1 -2,-0.5 -1,-0.1 0.861 101.1 53.4 -51.6 -45.8 14.7 11.8 -3.7 75 86 A E G 34 S+ 0 0 122 1,-0.2 -1,-0.3 25,-0.2 4,-0.1 0.625 101.8 59.9 -68.0 -16.0 16.0 15.3 -4.1 76 87 A A G <4 S+ 0 0 22 -3,-1.7 -1,-0.2 -73,-0.2 -2,-0.2 0.707 86.7 90.8 -83.7 -20.0 12.7 16.6 -5.5 77 88 A I S << S- 0 0 6 -3,-1.1 2,-1.2 -4,-0.8 -50,-0.2 -0.504 78.8-127.9 -80.4 144.6 10.7 15.7 -2.4 78 89 A H - 0 0 96 -52,-2.7 -1,-0.1 -2,-0.2 -2,-0.1 -0.753 35.7-163.3 -92.7 91.6 10.3 18.2 0.4 79 90 A W - 0 0 48 -2,-1.2 2,-0.1 -52,-0.1 3,-0.1 -0.402 22.4-102.3 -75.6 151.1 11.4 16.2 3.4 80 91 A P > - 0 0 29 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.423 45.1 -99.2 -70.2 145.2 10.7 17.1 7.0 81 92 A E T 3 S+ 0 0 194 1,-0.2 0, 0.0 -2,-0.1 0, 0.0 -0.407 105.7 21.7 -56.8 144.8 13.7 18.6 8.9 82 93 A X T 3 S+ 0 0 123 1,-0.2 -1,-0.2 -3,-0.1 -39,-0.0 0.191 83.3 163.2 83.2 -10.5 15.5 16.1 11.1 83 94 A V < - 0 0 15 -3,-1.5 -1,-0.2 1,-0.1 2,-0.1 -0.061 42.4-114.4 -57.1 137.4 14.4 13.0 9.3 84 95 A D > - 0 0 69 -41,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.459 21.0-128.1 -63.5 132.1 16.4 9.8 9.9 85 96 A E H > S+ 0 0 126 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.840 108.0 43.9 -60.3 -34.2 18.2 8.6 6.7 86 97 A H H > S+ 0 0 140 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.905 113.8 48.4 -77.0 -41.8 16.7 5.1 6.9 87 98 A K H 4 S+ 0 0 77 2,-0.2 -40,-0.4 1,-0.2 -2,-0.2 0.864 113.2 50.7 -65.1 -33.6 13.2 6.2 7.8 88 99 A K H >< S+ 0 0 47 -4,-2.6 3,-1.7 2,-0.2 4,-0.3 0.957 109.0 49.7 -66.0 -51.1 13.5 8.6 4.8 89 100 A A H 3< S+ 0 0 54 -4,-2.3 10,-0.3 1,-0.3 3,-0.3 0.871 122.5 34.3 -53.2 -40.6 14.7 5.8 2.5 90 101 A N T >< S+ 0 0 89 -4,-2.3 -43,-1.3 1,-0.2 3,-1.2 0.030 80.3 123.4-106.8 24.1 11.7 3.7 3.6 91 102 A A T < S+ 0 0 0 -3,-1.7 -42,-2.1 1,-0.3 -1,-0.2 0.858 85.2 30.0 -49.8 -43.9 9.2 6.5 4.1 92 103 A F T > S+ 0 0 2 -3,-0.3 3,-2.5 -4,-0.3 5,-0.4 0.269 82.2 142.5-105.4 6.1 6.7 5.0 1.7 93 104 A A T < S+ 0 0 59 -3,-1.2 3,-0.1 1,-0.3 -44,-0.1 -0.330 70.6 30.6 -58.1 128.5 7.4 1.3 2.1 94 105 A G T 3 S+ 0 0 89 1,-0.6 -1,-0.3 3,-0.2 2,-0.1 0.038 107.7 83.8 107.1 -20.0 4.2 -0.7 2.0 95 106 A S S < S- 0 0 49 -3,-2.5 -1,-0.6 2,-0.3 -26,-0.1 -0.343 96.0-102.6 -96.0-175.8 2.5 1.8 -0.4 96 107 A A E S+b 69 0A 64 -28,-0.6 -26,-1.1 -46,-0.2 2,-0.2 0.433 95.2 94.3 -88.5 2.5 2.8 1.9 -4.2 97 108 A L E +b 70 0A 7 -5,-0.4 -2,-0.3 -28,-0.3 2,-0.3 -0.615 45.6 158.9 -90.9 153.7 5.2 4.9 -3.9 98 109 A S E -b 71 0A 49 -28,-1.7 -26,-2.7 -2,-0.2 2,-0.3 -0.928 19.1-150.7-156.9 174.6 9.0 4.8 -3.7 99 110 A H E -b 72 0A 29 -10,-0.3 2,-0.3 -2,-0.3 -26,-0.2 -0.983 9.6-177.5-152.6 159.1 11.9 7.1 -4.4 100 111 A A E -b 73 0A 43 -28,-2.4 -26,-2.2 -2,-0.3 2,-0.3 -0.977 35.4 -94.8-155.6 155.2 15.5 6.9 -5.5 101 112 A A 0 0 72 -2,-0.3 -28,-0.1 -28,-0.2 -2,-0.0 -0.599 360.0 360.0 -71.7 133.1 18.5 9.2 -6.0 102 113 A L 0 0 114 -2,-0.3 -1,-0.1 -100,-0.1 -29,-0.0 0.956 360.0 360.0 -62.9 360.0 18.8 10.4 -9.6